NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
645749 |
6t2g   |
34441 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: G25T_dist.tbl
ASSI { 1}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 28 and name H1 ))
4.507 1.127 1.127 peak 1 weight 1.00000E+00 volume 5.54000E+05 ppm1 11.304 ppm2 10.982
ASSI { 2}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 7 and name H1 ))
4.753 1.188 1.188 peak 2 weight 1.00000E+00 volume 4.03000E+05 ppm1 11.948 ppm2 11.295
ASSI { 3}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 12 and name H1 ))
4.491 1.123 1.123 peak 3 weight 1.00000E+00 volume 5.66000E+05 ppm1 11.836 ppm2 11.489
ASSI { 4}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 13 and name H1 ))
4.613 1.153 1.153 peak 4 weight 1.00000E+00 volume 4.82000E+05 ppm1 11.490 ppm2 11.250
ASSI { 5}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 3 and name H1 ))
4.519 1.130 1.130 peak 5 weight 1.00000E+00 volume 5.45000E+05 ppm1 11.621 ppm2 11.248
ASSI { 6}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 26 and name H1 ))
6.087 1.522 1.522 peak 6 weight 1.00000E+00 volume 9.13000E+04 ppm1 11.839 ppm2 11.342
ASSI { 7}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H1 ))
8.000 2.000 0.000 peak 7 weight 1.00000E+00 volume 7.16000E+03 ppm1 11.837 ppm2 11.294
ASSI { 8}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 12 and name H1 ))
4.334 1.083 1.083 peak 8 weight 1.00000E+00 volume 7.01000E+05 ppm1 11.492 ppm2 11.307
ASSI { 9}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 26 and name H1 ))
5.157 1.289 1.289 peak 9 weight 1.00000E+00 volume 2.47000E+05 ppm1 11.624 ppm2 11.338
ASSI { 10}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 13 and name H1 ))
4.832 1.208 1.208 peak 10 weight 1.00000E+00 volume 3.65000E+05 ppm1 11.247 ppm2 10.986
ASSI { 11}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 4 and name H1 ))
4.360 1.090 1.090 peak 11 weight 1.00000E+00 volume 6.76000E+05 ppm1 11.231 ppm2 10.985
ASSI { 12}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 3 and name H8 ))
3.809 0.952 0.952 peak 12 weight 1.00000E+00 volume 1.52000E+06 ppm1 8.024 ppm2 7.601
ASSI { 13}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H1' ))
3.375 0.844 0.844 peak 13 weight 1.00000E+00 volume 3.14000E+06 ppm1 8.082 ppm2 6.546
ASSI { 14}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5 ))
2.789 0.697 0.697 peak 14 weight 1.00000E+00 volume 9.87000E+06 ppm1 8.087 ppm2 6.250
ASSI { 15}
(( segid " A" and resid 25 and name H6 ))
( segid " A" and resid 25 and name H5# )
3.063 0.766 0.766 peak 15 weight 1.00000E+00 volume 5.62000E+06 ppm1 7.417 ppm2 1.337
ASSI { 16}
(( segid " A" and resid 10 and name H6 ))
( segid " A" and resid 10 and name H5# )
2.786 0.697 0.697 peak 16 weight 1.00000E+00 volume 9.93000E+06 ppm1 8.027 ppm2 2.042
ASSI { 17}
(( segid " A" and resid 8 and name H6 ))
( segid " A" and resid 8 and name H5# )
3.305 0.826 0.826 peak 17 weight 1.00000E+00 volume 3.56000E+06 ppm1 7.446 ppm2 1.622
ASSI { 18}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 25 and name H1' ))
3.654 0.914 0.914 peak 18 weight 1.00000E+00 volume 1.95000E+06 ppm1 7.418 ppm2 5.716
ASSI { 19}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 26 and name H8 ))
4.311 1.078 1.078 peak 19 weight 1.00000E+00 volume 7.23000E+05 ppm1 8.124 ppm2 5.717
ASSI { 20}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H1' ))
3.765 0.941 0.941 peak 20 weight 1.00000E+00 volume 1.63000E+06 ppm1 8.122 ppm2 6.128
ASSI { 21}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H1' ))
3.394 0.848 0.848 peak 21 weight 1.00000E+00 volume 3.04000E+06 ppm1 7.445 ppm2 5.801
ASSI { 22}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 24 and name H1' ))
4.685 1.171 1.171 peak 22 weight 1.00000E+00 volume 4.39000E+05 ppm1 7.418 ppm2 6.230
ASSI { 23}
(( segid " A" and resid 24 and name H1' ))
(( segid " A" and resid 24 and name H8 ))
3.769 0.942 0.942 peak 23 weight 1.00000E+00 volume 1.62000E+06 ppm1 8.163 ppm2 6.232
ASSI { 24}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 23 and name H1' ))
4.863 1.216 1.216 peak 24 weight 1.00000E+00 volume 3.51000E+05 ppm1 8.163 ppm2 5.674
ASSI { 25}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 25 and name H2''))
2.723 0.681 0.681 peak 25 weight 1.00000E+00 volume 1.14000E+07 ppm1 7.417 ppm2 2.345
ASSI { 26}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 25 and name H2' ))
3.163 0.791 0.791 peak 26 weight 1.00000E+00 volume 4.64000E+06 ppm1 7.417 ppm2 2.540
ASSI { 27}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 25 and name H2''))
3.973 0.993 0.993 peak 27 weight 1.00000E+00 volume 1.18000E+06 ppm1 8.124 ppm2 2.348
ASSI { 28}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H2''))
2.939 0.735 0.735 peak 28 weight 1.00000E+00 volume 7.21000E+06 ppm1 8.123 ppm2 2.874
ASSI { 29}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H2' ))
3.033 0.758 0.758 peak 29 weight 1.00000E+00 volume 5.97000E+06 ppm1 8.125 ppm2 3.003
ASSI { 30}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 24 and name H8 ))
4.514 1.128 1.128 peak 30 weight 1.00000E+00 volume 5.49000E+05 ppm1 8.163 ppm2 1.337
ASSI { 31}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H1' ))
3.199 0.800 0.800 peak 31 weight 1.00000E+00 volume 4.33000E+06 ppm1 7.846 ppm2 6.127
ASSI { 32}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 26 and name H8 ))
3.056 0.764 0.764 peak 32 weight 1.00000E+00 volume 5.70000E+06 ppm1 8.124 ppm2 7.417
ASSI { 33}
(( segid " A" and resid 10 and name H6 ))
(( segid " A" and resid 10 and name H1' ))
3.384 0.846 0.846 peak 33 weight 1.00000E+00 volume 3.09000E+06 ppm1 8.025 ppm2 6.597
ASSI { 34}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 3 and name H8 ))
4.448 1.112 1.112 peak 34 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.309 ppm2 7.601
ASSI { 35}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 3 and name H8 ))
4.202 1.050 1.050 peak 35 weight 1.00000E+00 volume 8.44000E+05 ppm1 10.984 ppm2 7.603
ASSI { 36}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 4 and name H8 ))
4.585 1.146 1.146 peak 36 weight 1.00000E+00 volume 5.00000E+05 ppm1 10.984 ppm2 7.726
ASSI { 37}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 2 and name H8 ))
4.473 1.118 1.118 peak 37 weight 1.00000E+00 volume 5.80000E+05 ppm1 11.341 ppm2 8.021
ASSI { 38}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 2 and name H8 ))
4.585 1.146 1.146 peak 38 weight 1.00000E+00 volume 5.00000E+05 ppm1 11.308 ppm2 8.024
ASSI { 39}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 4 and name H8 ))
3.388 0.847 0.847 peak 39 weight 1.00000E+00 volume 3.07000E+06 ppm1 7.599 ppm2 7.733
ASSI { 40}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H1' ))
3.871 0.968 0.968 peak 40 weight 1.00000E+00 volume 1.38000E+06 ppm1 8.026 ppm2 6.112
ASSI { 41}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H3' ))
3.492 0.873 0.873 peak 41 weight 1.00000E+00 volume 2.56000E+06 ppm1 8.026 ppm2 5.094
ASSI { 42}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H3' ))
3.728 0.932 0.932 peak 42 weight 1.00000E+00 volume 1.73000E+06 ppm1 7.606 ppm2 5.099
ASSI { 43}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H5 ))
5.143 1.286 1.286 peak 43 weight 1.00000E+00 volume 2.51000E+05 ppm1 6.540 ppm2 6.245
ASSI { 44}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H3' ))
4.117 1.029 1.029 peak 44 weight 1.00000E+00 volume 9.54000E+05 ppm1 6.114 ppm2 5.102
ASSI { 45}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H1' ))
3.769 0.942 0.942 peak 45 weight 1.00000E+00 volume 1.62000E+06 ppm1 7.602 ppm2 6.171
ASSI { 46}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H1' ))
3.141 0.785 0.785 peak 46 weight 1.00000E+00 volume 4.84000E+06 ppm1 7.604 ppm2 6.117
ASSI { 47}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
3.336 0.834 0.834 peak 47 weight 1.00000E+00 volume 3.37000E+06 ppm1 7.602 ppm2 4.995
ASSI { 48}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H2''))
2.769 0.692 0.692 peak 48 weight 1.00000E+00 volume 1.03000E+07 ppm1 8.025 ppm2 2.819
ASSI { 49}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
2.981 0.745 0.745 peak 49 weight 1.00000E+00 volume 6.62000E+06 ppm1 8.024 ppm2 3.053
ASSI { 50}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
3.405 0.851 0.851 peak 50 weight 1.00000E+00 volume 2.98000E+06 ppm1 7.602 ppm2 3.055
ASSI { 51}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H2''))
3.346 0.836 0.836 peak 51 weight 1.00000E+00 volume 3.31000E+06 ppm1 7.599 ppm2 2.823
ASSI { 52}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H3' ))
3.651 0.913 0.913 peak 52 weight 1.00000E+00 volume 1.96000E+06 ppm1 7.728 ppm2 5.157
ASSI { 53}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
4.934 1.233 1.233 peak 53 weight 1.00000E+00 volume 3.22000E+05 ppm1 7.727 ppm2 4.986
ASSI { 54}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H3' ))
3.639 0.910 0.910 peak 54 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.169 ppm2 4.985
ASSI { 55}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
3.411 0.853 0.853 peak 55 weight 1.00000E+00 volume 2.95000E+06 ppm1 7.602 ppm2 2.939
ASSI { 56}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2''))
2.909 0.727 0.727 peak 56 weight 1.00000E+00 volume 7.66000E+06 ppm1 7.601 ppm2 2.542
ASSI { 57}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H1' ))
3.483 0.871 0.871 peak 57 weight 1.00000E+00 volume 2.60000E+06 ppm1 7.727 ppm2 6.171
ASSI { 58}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H2' ))
2.696 0.674 0.674 peak 58 weight 1.00000E+00 volume 1.21000E+07 ppm1 3.056 ppm2 2.820
ASSI { 59}
(( segid " A" and resid 3 and name H2' ))
(( segid " A" and resid 3 and name H2''))
2.641 0.660 0.660 peak 59 weight 1.00000E+00 volume 1.37000E+07 ppm1 2.939 ppm2 2.543
ASSI { 60}
(( segid " A" and resid 26 and name H2' ))
(( segid " A" and resid 27 and name H8 ))
3.137 0.784 0.784 peak 60 weight 1.00000E+00 volume 4.87000E+06 ppm1 7.845 ppm2 3.002
ASSI { 61}
(( segid " A" and resid 26 and name H2''))
(( segid " A" and resid 27 and name H8 ))
3.105 0.776 0.776 peak 61 weight 1.00000E+00 volume 5.18000E+06 ppm1 7.846 ppm2 2.866
ASSI { 62}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H2' ))
2.953 0.738 0.738 peak 62 weight 1.00000E+00 volume 7.00000E+06 ppm1 5.798 ppm2 2.330
ASSI { 63}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H2''))
3.030 0.758 0.758 peak 63 weight 1.00000E+00 volume 6.00000E+06 ppm1 5.799 ppm2 2.227
ASSI { 64}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 8 and name H1' ))
5.510 1.377 1.377 peak 64 weight 1.00000E+00 volume 1.66000E+05 ppm1 5.794 ppm2 1.623
ASSI { 65}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H2' ))
2.805 0.701 0.701 peak 65 weight 1.00000E+00 volume 9.54000E+06 ppm1 8.164 ppm2 2.701
ASSI { 66}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 25 and name H3' ))
3.481 0.870 0.870 peak 66 weight 1.00000E+00 volume 2.61000E+06 ppm1 7.417 ppm2 4.928
ASSI { 67}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H3' ))
3.568 0.892 0.892 peak 67 weight 1.00000E+00 volume 2.25000E+06 ppm1 8.125 ppm2 5.184
ASSI { 68}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 26 and name H3' ))
4.105 1.026 1.026 peak 68 weight 1.00000E+00 volume 9.70000E+05 ppm1 7.845 ppm2 5.183
ASSI { 69}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H3' ))
3.667 0.917 0.917 peak 69 weight 1.00000E+00 volume 1.91000E+06 ppm1 7.845 ppm2 5.104
ASSI { 70}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H1' ))
3.624 0.906 0.906 peak 70 weight 1.00000E+00 volume 2.05000E+06 ppm1 7.726 ppm2 6.372
ASSI { 71}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 27 and name H8 ))
4.976 1.244 1.244 peak 71 weight 1.00000E+00 volume 3.06000E+05 ppm1 11.490 ppm2 7.847
ASSI { 72}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 27 and name H8 ))
4.585 1.146 1.146 peak 72 weight 1.00000E+00 volume 5.00000E+05 ppm1 11.341 ppm2 7.851
ASSI { 73}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 28 and name H1' ))
3.468 0.867 0.867 peak 73 weight 1.00000E+00 volume 2.67000E+06 ppm1 7.609 ppm2 5.986
ASSI { 74}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 29 and name H8 ))
3.457 0.864 0.864 peak 74 weight 1.00000E+00 volume 2.72000E+06 ppm1 7.571 ppm2 5.989
ASSI { 75}
(( segid " A" and resid 29 and name H8 ))
(( segid " A" and resid 29 and name H1' ))
3.996 0.999 0.999 peak 75 weight 1.00000E+00 volume 1.14000E+06 ppm1 7.570 ppm2 5.426
ASSI { 76}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 28 and name H8 ))
3.920 0.980 0.980 peak 76 weight 1.00000E+00 volume 1.28000E+06 ppm1 11.250 ppm2 7.610
ASSI { 77}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H2' ))
3.052 0.763 0.763 peak 77 weight 1.00000E+00 volume 5.75000E+06 ppm1 5.717 ppm2 2.538
ASSI { 78}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H2''))
3.091 0.773 0.773 peak 78 weight 1.00000E+00 volume 5.32000E+06 ppm1 5.716 ppm2 2.345
ASSI { 79}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 25 and name H5' ))
2.613 0.653 0.653 peak 79 weight 1.00000E+00 volume 1.46000E+07 ppm1 7.423 ppm2 4.242
ASSI { 80}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H5' ))
3.490 0.872 0.872 peak 80 weight 1.00000E+00 volume 2.57000E+06 ppm1 5.717 ppm2 4.242
ASSI { 81}
(( segid " A" and resid 25 and name H2''))
(( segid " A" and resid 25 and name H2' ))
2.711 0.678 0.678 peak 81 weight 1.00000E+00 volume 1.17000E+07 ppm1 2.543 ppm2 2.343
ASSI { 82}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H3' ))
3.693 0.923 0.923 peak 82 weight 1.00000E+00 volume 1.83000E+06 ppm1 6.127 ppm2 5.183
ASSI { 83}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H3' ))
4.304 1.076 1.076 peak 83 weight 1.00000E+00 volume 7.31000E+05 ppm1 6.128 ppm2 5.099
ASSI { 84}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H2''))
3.312 0.828 0.828 peak 84 weight 1.00000E+00 volume 3.52000E+06 ppm1 6.126 ppm2 2.880
ASSI { 85}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H2' ))
2.846 0.712 0.712 peak 85 weight 1.00000E+00 volume 8.73000E+06 ppm1 6.126 ppm2 3.001
ASSI { 86}
(( segid " A" and resid 26 and name H2''))
(( segid " A" and resid 26 and name H3' ))
3.377 0.844 0.844 peak 86 weight 1.00000E+00 volume 3.13000E+06 ppm1 5.184 ppm2 2.871
ASSI { 87}
(( segid " A" and resid 26 and name H2' ))
(( segid " A" and resid 26 and name H3' ))
3.690 0.922 0.922 peak 87 weight 1.00000E+00 volume 1.84000E+06 ppm1 5.180 ppm2 3.003
ASSI { 88}
(( segid " A" and resid 26 and name H2''))
(( segid " A" and resid 26 and name H2' ))
2.707 0.677 0.677 peak 88 weight 1.00000E+00 volume 1.18000E+07 ppm1 3.003 ppm2 2.874
ASSI { 89}
(( segid " A" and resid 27 and name H2' ))
(( segid " A" and resid 27 and name H2''))
2.002 0.282 0.500 peak 89 weight 1.00000E+00 volume 7.22000E+07 ppm1 2.827 ppm2 2.726
ASSI { 90}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H2''))
2.490 0.622 0.622 peak 90 weight 1.00000E+00 volume 1.95000E+07 ppm1 2.873 ppm2 2.730
ASSI { 91}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H2''))
2.806 0.702 0.702 peak 91 weight 1.00000E+00 volume 9.51000E+06 ppm1 7.846 ppm2 2.721
ASSI { 92}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H2' ))
2.992 0.748 0.748 peak 92 weight 1.00000E+00 volume 6.47000E+06 ppm1 7.847 ppm2 2.830
ASSI { 93}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H2''))
3.045 0.761 0.761 peak 93 weight 1.00000E+00 volume 5.82000E+06 ppm1 6.126 ppm2 2.721
ASSI { 94}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H2' ))
3.124 0.781 0.781 peak 94 weight 1.00000E+00 volume 5.00000E+06 ppm1 6.128 ppm2 2.826
ASSI { 95}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 28 and name H2''))
2.957 0.739 0.739 peak 95 weight 1.00000E+00 volume 6.94000E+06 ppm1 5.985 ppm2 2.381
ASSI { 96}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 28 and name H2' ))
2.731 0.683 0.683 peak 96 weight 1.00000E+00 volume 1.12000E+07 ppm1 5.985 ppm2 2.683
ASSI { 97}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 28 and name H2' ))
3.016 0.754 0.754 peak 97 weight 1.00000E+00 volume 6.17000E+06 ppm1 7.609 ppm2 2.689
ASSI { 98}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 27 and name H2''))
3.129 0.782 0.782 peak 98 weight 1.00000E+00 volume 4.95000E+06 ppm1 7.610 ppm2 2.725
ASSI { 99}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 28 and name H2''))
2.867 0.717 0.717 peak 99 weight 1.00000E+00 volume 8.36000E+06 ppm1 7.608 ppm2 2.380
ASSI { 100}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 27 and name H2' ))
3.381 0.845 0.845 peak 100 weight 1.00000E+00 volume 3.11000E+06 ppm1 7.612 ppm2 2.828
ASSI { 101}
(( segid " A" and resid 29 and name H1' ))
(( segid " A" and resid 29 and name H2''))
3.506 0.877 0.877 peak 101 weight 1.00000E+00 volume 2.50000E+06 ppm1 5.427 ppm2 2.272
ASSI { 102}
(( segid " A" and resid 29 and name H1' ))
(( segid " A" and resid 29 and name H2' ))
3.054 0.764 0.764 peak 102 weight 1.00000E+00 volume 5.72000E+06 ppm1 5.425 ppm2 2.344
ASSI { 103}
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ASSI { 104}
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ASSI { 105}
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ASSI { 106}
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ASSI { 107}
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ASSI { 108}
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ASSI { 109}
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ASSI { 110}
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ASSI { 111}
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ASSI { 112}
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ASSI { 113}
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ASSI { 114}
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ASSI { 115}
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ASSI { 116}
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ASSI { 117}
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ASSI { 118}
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ASSI { 119}
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ASSI { 120}
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ASSI { 121}
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ASSI { 122}
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ASSI { 123}
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ASSI { 124}
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ASSI { 125}
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ASSI { 126}
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ASSI { 127}
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ASSI { 128}
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ASSI { 129}
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ASSI { 130}
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ASSI { 131}
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ASSI { 132}
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ASSI { 133}
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ASSI { 134}
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ASSI { 136}
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ASSI { 137}
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ASSI { 138}
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ASSI { 139}
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ASSI { 140}
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ASSI { 141}
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ASSI { 142}
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ASSI { 143}
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ASSI { 144}
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ASSI { 145}
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ASSI { 146}
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ASSI { 147}
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ASSI { 148}
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ASSI { 149}
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ASSI { 150}
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ASSI { 151}
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ASSI { 152}
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ASSI { 153}
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ASSI { 154}
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ASSI { 155}
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ASSI { 156}
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ASSI { 157}
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ASSI { 158}
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ASSI { 159}
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ASSI { 160}
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ASSI { 161}
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ASSI { 162}
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ASSI { 163}
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ASSI { 164}
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ASSI { 165}
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ASSI { 166}
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ASSI { 167}
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ASSI { 168}
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ASSI { 169}
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ASSI { 170}
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ASSI { 171}
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ASSI { 172}
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ASSI { 173}
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ASSI { 174}
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ASSI { 175}
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ASSI { 176}
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ASSI { 177}
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ASSI { 178}
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ASSI { 179}
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ASSI { 180}
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ASSI { 181}
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ASSI { 182}
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ASSI { 183}
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ASSI { 184}
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ASSI { 185}
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ASSI { 186}
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ASSI { 187}
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ASSI { 188}
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ASSI { 189}
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ASSI { 190}
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ASSI { 191}
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ASSI { 192}
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ASSI { 193}
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ASSI { 194}
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ASSI { 195}
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ASSI { 196}
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ASSI { 197}
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ASSI { 198}
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ASSI { 199}
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ASSI { 200}
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ASSI { 201}
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ASSI { 202}
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ASSI { 203}
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ASSI { 204}
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ASSI { 205}
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ASSI { 206}
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ASSI { 207}
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ASSI { 208}
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ASSI { 209}
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ASSI { 210}
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ASSI { 211}
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ASSI { 212}
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ASSI { 213}
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ASSI { 214}
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ASSI { 215}
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ASSI { 216}
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ASSI { 217}
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ASSI { 218}
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ASSI { 219}
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ASSI { 220}
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ASSI { 221}
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ASSI { 222}
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ASSI { 223}
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ASSI { 224}
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ASSI { 225}
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ASSI { 226}
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ASSI { 227}
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ASSI { 228}
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ASSI { 229}
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ASSI { 230}
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ASSI { 231}
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ASSI { 232}
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ASSI { 233}
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ASSI { 234}
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ASSI { 235}
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ASSI { 236}
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ASSI { 237}
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ASSI { 238}
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ASSI { 239}
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ASSI { 240}
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ASSI { 241}
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ASSI { 242}
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ASSI { 243}
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ASSI { 244}
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ASSI { 245}
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ASSI { 246}
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ASSI { 247}
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ASSI { 248}
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ASSI { 249}
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ASSI { 250}
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ASSI { 251}
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ASSI { 252}
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ASSI { 253}
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ASSI { 254}
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ASSI { 255}
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ASSI { 256}
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ASSI { 257}
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ASSI { 258}
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ASSI { 259}
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ASSI { 260}
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ASSI { 261}
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ASSI { 262}
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ASSI { 263}
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ASSI { 264}
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ASSI { 265}
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ASSI { 266}
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ASSI { 267}
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ASSI { 268}
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ASSI { 269}
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ASSI { 270}
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ASSI { 271}
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ASSI { 272}
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ASSI { 273}
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ASSI { 274}
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ASSI { 275}
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ASSI { 276}
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ASSI { 277}
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ASSI { 278}
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ASSI { 280}
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ASSI { 281}
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ASSI { 282}
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ASSI { 283}
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ASSI { 284}
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ASSI { 285}
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ASSI { 286}
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ASSI { 287}
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ASSI { 288}
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ASSI { 289}
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ASSI { 290}
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ASSI { 291}
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ASSI { 292}
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ASSI { 293}
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ASSI { 294}
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ASSI { 295}
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ASSI { 296}
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ASSI { 297}
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ASSI { 298}
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ASSI { 299}
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ASSI { 300}
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ASSI { 301}
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ASSI { 302}
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ASSI { 303}
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ASSI { 304}
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ASSI { 305}
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ASSI { 306}
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ASSI { 307}
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ASSI { 308}
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ASSI { 309}
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3.717 0.929 0.929 peak 309 weight 1.00000E+00 volume 1.76000E+06 ppm1 7.230 ppm2 2.163
ASSI { 310}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H2''))
4.071 1.018 1.018 peak 310 weight 1.00000E+00 volume 1.02000E+06 ppm1 5.904 ppm2 1.876
ASSI { 311}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H2' ))
3.138 0.785 0.785 peak 311 weight 1.00000E+00 volume 4.86000E+06 ppm1 5.898 ppm2 2.161
ASSI { 312}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H5' ))
3.223 0.806 0.806 peak 312 weight 1.00000E+00 volume 4.14000E+06 ppm1 5.904 ppm2 3.947
ASSI { 313}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H4' ))
4.064 1.016 1.016 peak 313 weight 1.00000E+00 volume 1.03000E+06 ppm1 5.900 ppm2 4.038
ASSI { 314}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 32 and name H4' ))
3.612 0.903 0.903 peak 314 weight 1.00000E+00 volume 2.09000E+06 ppm1 7.233 ppm2 4.032
ASSI { 315}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 32 and name H5' ))
3.497 0.874 0.874 peak 315 weight 1.00000E+00 volume 2.54000E+06 ppm1 7.231 ppm2 3.978
ASSI { 316}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H4' ))
4.229 1.057 1.057 peak 316 weight 1.00000E+00 volume 8.12000E+05 ppm1 4.031 ppm2 1.872
ASSI { 317}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H4' ))
4.085 1.021 1.021 peak 317 weight 1.00000E+00 volume 1.00000E+06 ppm1 4.028 ppm2 2.160
ASSI { 318}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H2' ))
3.383 0.846 0.846 peak 318 weight 1.00000E+00 volume 3.10000E+06 ppm1 2.164 ppm2 1.877
ASSI { 319}
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(( segid " A" and resid 31 and name H8 ))
5.368 1.342 1.342 peak 319 weight 1.00000E+00 volume 1.94000E+05 ppm1 8.244 ppm2 5.424
ASSI { 320}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H1' ))
3.750 0.937 0.937 peak 320 weight 1.00000E+00 volume 1.67000E+06 ppm1 8.244 ppm2 6.073
ASSI { 321}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H3' ))
4.026 1.007 1.007 peak 321 weight 1.00000E+00 volume 1.09000E+06 ppm1 8.244 ppm2 4.934
ASSI { 322}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 31 and name H3' ))
4.064 1.016 1.016 peak 322 weight 1.00000E+00 volume 1.03000E+06 ppm1 6.073 ppm2 4.950
ASSI { 323}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 31 and name H2''))
2.953 0.738 0.738 peak 323 weight 1.00000E+00 volume 7.00000E+06 ppm1 6.072 ppm2 2.563
ASSI { 324}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 31 and name H2' ))
2.735 0.684 0.684 peak 324 weight 1.00000E+00 volume 1.11000E+07 ppm1 6.072 ppm2 2.650
ASSI { 325}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 31 and name H2''))
3.968 0.992 0.992 peak 325 weight 1.00000E+00 volume 1.19000E+06 ppm1 7.229 ppm2 2.561
ASSI { 326}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 31 and name H2' ))
4.152 1.038 1.038 peak 326 weight 1.00000E+00 volume 9.07000E+05 ppm1 7.229 ppm2 2.659
ASSI { 327}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H2' ))
3.281 0.820 0.820 peak 327 weight 1.00000E+00 volume 3.72000E+06 ppm1 8.244 ppm2 2.652
ASSI { 328}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H2''))
3.098 0.775 0.775 peak 328 weight 1.00000E+00 volume 5.25000E+06 ppm1 8.244 ppm2 2.565
ASSI { 329}
(( segid " A" and resid 31 and name H2''))
(( segid " A" and resid 31 and name H2' ))
2.070 0.350 0.518 peak 329 weight 1.00000E+00 volume 5.90000E+07 ppm1 2.648 ppm2 2.568
ASSI { 330}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H4' ))
4.146 1.037 1.037 peak 330 weight 1.00000E+00 volume 9.14000E+05 ppm1 8.244 ppm2 4.171
ASSI { 331}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H5' ))
3.809 0.952 0.952 peak 331 weight 1.00000E+00 volume 1.52000E+06 ppm1 8.243 ppm2 4.080
ASSI { 332}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H1' ))
2.861 0.715 0.715 peak 332 weight 1.00000E+00 volume 8.46000E+06 ppm1 7.943 ppm2 6.074
ASSI { 333}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 28 and name H8 ))
4.861 1.215 1.215 peak 333 weight 1.00000E+00 volume 3.52000E+05 ppm1 7.609 ppm2 7.848
ASSI { 334}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 27 and name H8 ))
5.857 1.464 1.464 peak 334 weight 1.00000E+00 volume 1.15000E+05 ppm1 7.847 ppm2 8.126
ASSI { 335}
(( segid " A" and resid 25 and name H6 ))
(( segid " A" and resid 24 and name H8 ))
6.031 1.508 1.508 peak 335 weight 1.00000E+00 volume 9.65000E+04 ppm1 8.168 ppm2 7.417
ASSI { 336}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 11 and name H1' ))
5.482 1.371 1.371 peak 336 weight 1.00000E+00 volume 1.71000E+05 ppm1 11.838 ppm2 6.200
ASSI { 337}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 3 and name H1' ))
5.306 1.327 1.327 peak 337 weight 1.00000E+00 volume 2.08000E+05 ppm1 11.616 ppm2 6.176
ASSI { 338}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 27 and name H1' ))
3.777 0.944 0.944 peak 338 weight 1.00000E+00 volume 1.60000E+06 ppm1 11.341 ppm2 6.128
ASSI { 339}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 27 and name H1' ))
3.403 0.851 0.851 peak 339 weight 1.00000E+00 volume 2.99000E+06 ppm1 11.310 ppm2 6.121
ASSI { 340}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 9 and name H1 ))
5.306 1.327 1.327 peak 340 weight 1.00000E+00 volume 2.08000E+05 ppm1 11.317 ppm2 7.439
ASSI { 341}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 8 and name H6 ))
4.515 1.129 1.129 peak 341 weight 1.00000E+00 volume 5.48000E+05 ppm1 11.252 ppm2 7.445
ASSI { 342}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 13 and name H1' ))
4.671 1.168 1.168 peak 342 weight 1.00000E+00 volume 4.47000E+05 ppm1 11.249 ppm2 6.372
ASSI { 343}
(( segid " A" and resid 11 and name H1 ))
( segid " A" and resid 25 and name H5# )
4.452 1.113 1.113 peak 343 weight 1.00000E+00 volume 5.96000E+05 ppm1 11.836 ppm2 1.336
ASSI { 344}
(( segid " A" and resid 4 and name H1 ))
( segid " A" and resid 8 and name H5# )
5.364 1.341 1.341 peak 344 weight 1.00000E+00 volume 1.95000E+05 ppm1 11.228 ppm2 1.625
ASSI { 345}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 25 and name H2''))
5.269 1.317 1.317 peak 345 weight 1.00000E+00 volume 2.17000E+05 ppm1 11.837 ppm2 2.347
ASSI { 346}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 25 and name H2' ))
5.928 1.482 1.482 peak 346 weight 1.00000E+00 volume 1.07000E+05 ppm1 11.838 ppm2 2.540
ASSI { 347}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 1 and name H2' ))
6.066 1.517 1.517 peak 347 weight 1.00000E+00 volume 9.32000E+04 ppm1 11.346 ppm2 2.462
ASSI { 348}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 1 and name H2''))
4.921 1.230 1.230 peak 348 weight 1.00000E+00 volume 3.27000E+05 ppm1 11.343 ppm2 2.594
ASSI { 349}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 4 and name H8 ))
4.906 1.227 1.227 peak 349 weight 1.00000E+00 volume 3.33000E+05 ppm1 7.727 ppm2 1.622
ASSI { 350}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 4 and name H1' ))
3.996 0.999 0.999 peak 350 weight 1.00000E+00 volume 1.14000E+06 ppm1 6.376 ppm2 1.620
ASSI { 351}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 11 and name H1' ))
4.571 1.143 1.143 peak 351 weight 1.00000E+00 volume 5.09000E+05 ppm1 6.201 ppm2 1.335
ASSI { 352}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 24 and name H1' ))
6.409 1.602 1.591 peak 352 weight 1.00000E+00 volume 6.70000E+04 ppm1 6.235 ppm2 1.333
ASSI { 353}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 25 and name H1' ))
5.784 1.446 1.446 peak 353 weight 1.00000E+00 volume 1.24000E+05 ppm1 5.711 ppm2 1.334
ASSI { 354}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H1' ))
4.513 1.128 1.128 peak 354 weight 1.00000E+00 volume 5.50000E+05 ppm1 6.591 ppm2 2.039
ASSI { 355}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 7 and name H3' ))
5.196 1.299 1.299 peak 355 weight 1.00000E+00 volume 2.36000E+05 ppm1 5.231 ppm2 2.045
ASSI { 356}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H2''))
4.639 1.160 1.160 peak 356 weight 1.00000E+00 volume 4.66000E+05 ppm1 2.590 ppm2 2.042
ASSI { 357}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H2' ))
4.870 1.218 1.218 peak 357 weight 1.00000E+00 volume 3.48000E+05 ppm1 2.707 ppm2 2.041
ASSI { 358}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 25 and name H2' ))
5.103 1.276 1.276 peak 358 weight 1.00000E+00 volume 2.63000E+05 ppm1 2.543 ppm2 1.336
ASSI { 359}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 25 and name H2''))
4.297 1.074 1.074 peak 359 weight 1.00000E+00 volume 7.38000E+05 ppm1 2.343 ppm2 1.335
ASSI { 360}
( segid " A" and resid 25 and name H5# )
(( segid " A" and resid 24 and name H2' ))
3.925 0.981 0.981 peak 360 weight 1.00000E+00 volume 1.27000E+06 ppm1 2.710 ppm2 1.336
ASSI { 361}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 4 and name H2''))
4.071 1.018 1.018 peak 361 weight 1.00000E+00 volume 1.02000E+06 ppm1 2.586 ppm2 1.619
ASSI { 362}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 4 and name H2' ))
3.979 0.995 0.995 peak 362 weight 1.00000E+00 volume 1.17000E+06 ppm1 2.709 ppm2 1.622
ASSI { 363}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 9 and name H8 ))
4.288 1.072 1.072 peak 363 weight 1.00000E+00 volume 7.47000E+05 ppm1 7.671 ppm2 5.796
ASSI { 364}
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(( segid " A" and resid 12 and name H8 ))
5.668 1.417 1.417 peak 364 weight 1.00000E+00 volume 1.40000E+05 ppm1 7.995 ppm2 8.149
ASSI { 365}
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(( segid " A" and resid 16 and name H1' ))
3.721 0.930 0.930 peak 365 weight 1.00000E+00 volume 1.75000E+06 ppm1 7.786 ppm2 5.388
ASSI { 366}
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(( segid " A" and resid 17 and name H8 ))
4.369 1.092 1.092 peak 366 weight 1.00000E+00 volume 6.68000E+05 ppm1 8.085 ppm2 5.392
ASSI { 367}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H1' ))
3.418 0.855 0.855 peak 367 weight 1.00000E+00 volume 2.91000E+06 ppm1 8.088 ppm2 5.978
ASSI { 368}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H1' ))
3.418 0.855 0.855 peak 368 weight 1.00000E+00 volume 2.91000E+06 ppm1 7.813 ppm2 5.555
ASSI { 369}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H8 ))
4.594 1.148 1.148 peak 369 weight 1.00000E+00 volume 4.94000E+05 ppm1 8.111 ppm2 5.553
ASSI { 370}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H1' ))
3.639 0.910 0.910 peak 370 weight 1.00000E+00 volume 2.00000E+06 ppm1 8.111 ppm2 5.933
ASSI { 371}
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(( segid " A" and resid 18 and name H8 ))
5.956 1.489 1.489 peak 371 weight 1.00000E+00 volume 1.04000E+05 ppm1 7.751 ppm2 5.976
ASSI { 372}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 18 and name H1' ))
3.257 0.814 0.814 peak 372 weight 1.00000E+00 volume 3.89000E+06 ppm1 7.750 ppm2 5.665
ASSI { 373}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
2.943 0.736 0.736 peak 373 weight 1.00000E+00 volume 7.15000E+06 ppm1 7.757 ppm2 5.748
ASSI { 374}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
4.766 1.192 1.192 peak 374 weight 1.00000E+00 volume 3.96000E+05 ppm1 7.810 ppm2 5.758
ASSI { 375}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H1' ))
3.598 0.900 0.900 peak 375 weight 1.00000E+00 volume 2.14000E+06 ppm1 8.134 ppm2 5.941
ASSI { 376}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 15 and name H1' ))
5.093 1.273 1.273 peak 376 weight 1.00000E+00 volume 2.66000E+05 ppm1 7.784 ppm2 5.946
ASSI { 377}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H1' ))
3.407 0.852 0.852 peak 377 weight 1.00000E+00 volume 2.97000E+06 ppm1 7.656 ppm2 5.648
ASSI { 378}
(( segid " A" and resid 10 and name H6 ))
(( segid " A" and resid 9 and name H8 ))
5.346 1.336 1.336 peak 378 weight 1.00000E+00 volume 1.99000E+05 ppm1 8.042 ppm2 7.685
ASSI { 379}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 30 and name H8 ))
4.924 1.231 1.231 peak 379 weight 1.00000E+00 volume 3.26000E+05 ppm1 7.923 ppm2 7.439
ASSI { 380}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 18 and name H8 ))
5.995 1.499 1.499 peak 380 weight 1.00000E+00 volume 1.00000E+05 ppm1 7.743 ppm2 8.085
ASSI { 381}
(( segid " A" and resid 10 and name H6 ))
(( segid " A" and resid 8 and name H6 ))
5.406 1.352 1.352 peak 381 weight 1.00000E+00 volume 1.86000E+05 ppm1 7.438 ppm2 8.040
ASSI { 382}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 9 and name H8 ))
5.995 1.499 1.499 peak 382 weight 1.00000E+00 volume 1.00000E+05 ppm1 7.671 ppm2 7.453
ASSI { 383}
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(( segid " A" and resid 25 and name H6 ))
6.590 1.647 1.410 peak 383 weight 1.00000E+00 volume 5.67000E+04 ppm1 11.836 ppm2 7.420
ASSI { 384}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 1 and name H8 ))
5.192 1.298 1.298 peak 384 weight 1.00000E+00 volume 2.37000E+05 ppm1 11.344 ppm2 7.807
ASSI { 385}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 27 and name H8 ))
5.883 1.471 1.471 peak 385 weight 1.00000E+00 volume 1.12000E+05 ppm1 10.982 ppm2 7.840
ASSI { 386}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 30 and name H8 ))
4.992 1.248 1.248 peak 386 weight 1.00000E+00 volume 3.00000E+05 ppm1 10.982 ppm2 7.934
ASSI { 387}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 14 and name H8 ))
4.211 1.053 1.053 peak 387 weight 1.00000E+00 volume 8.33000E+05 ppm1 7.945 ppm2 6.362
ASSI { 388}
(( segid " A" and resid 14 and name H1' ))
(( segid " A" and resid 15 and name H8 ))
3.809 0.952 0.952 peak 388 weight 1.00000E+00 volume 1.52000E+06 ppm1 8.135 ppm2 6.069
ASSI { 389}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H3' ))
2.912 0.728 0.728 peak 389 weight 1.00000E+00 volume 7.62000E+06 ppm1 7.655 ppm2 4.849
ASSI { 390}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2' ))
2.644 0.661 0.661 peak 390 weight 1.00000E+00 volume 1.36000E+07 ppm1 7.657 ppm2 2.362
ASSI { 391}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2''))
2.719 0.680 0.680 peak 391 weight 1.00000E+00 volume 1.15000E+07 ppm1 7.657 ppm2 2.295
ASSI { 392}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 22 and name H2''))
2.988 0.747 0.747 peak 392 weight 1.00000E+00 volume 6.52000E+06 ppm1 5.646 ppm2 2.286
ASSI { 393}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 22 and name H2' ))
3.033 0.758 0.758 peak 393 weight 1.00000E+00 volume 5.96000E+06 ppm1 5.644 ppm2 2.372
ASSI { 394}
(( segid " A" and resid 22 and name H2' ))
(( segid " A" and resid 22 and name H2''))
2.765 0.691 0.691 peak 394 weight 1.00000E+00 volume 1.04000E+07 ppm1 2.361 ppm2 2.285
ASSI { 395}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H2' ))
2.888 0.722 0.722 peak 395 weight 1.00000E+00 volume 8.00000E+06 ppm1 5.935 ppm2 2.523
ASSI { 396}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H2' ))
2.783 0.696 0.696 peak 396 weight 1.00000E+00 volume 1.00000E+07 ppm1 8.105 ppm2 2.523
ASSI { 397}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H3' ))
3.492 0.873 0.873 peak 397 weight 1.00000E+00 volume 2.56000E+06 ppm1 8.107 ppm2 4.894
ASSI { 398}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H5''))
4.227 1.057 1.057 peak 398 weight 1.00000E+00 volume 8.14000E+05 ppm1 8.109 ppm2 3.958
ASSI { 399}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H5' ))
5.302 1.326 1.326 peak 399 weight 1.00000E+00 volume 2.09000E+05 ppm1 8.110 ppm2 3.868
ASSI { 400}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H2' ))
2.943 0.736 0.736 peak 400 weight 1.00000E+00 volume 7.14000E+06 ppm1 7.813 ppm2 2.412
ASSI { 401}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H2' ))
2.765 0.691 0.691 peak 401 weight 1.00000E+00 volume 1.04000E+07 ppm1 5.553 ppm2 2.410
ASSI { 402}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H5' ))
3.920 0.980 0.980 peak 402 weight 1.00000E+00 volume 1.28000E+06 ppm1 5.552 ppm2 3.877
ASSI { 403}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H5''))
4.085 1.021 1.021 peak 403 weight 1.00000E+00 volume 1.00000E+06 ppm1 5.554 ppm2 3.966
ASSI { 404}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H5' ))
4.089 1.022 1.022 peak 404 weight 1.00000E+00 volume 9.94000E+05 ppm1 5.553 ppm2 4.070
ASSI { 405}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H3' ))
3.962 0.991 0.991 peak 405 weight 1.00000E+00 volume 1.20000E+06 ppm1 7.817 ppm2 4.860
ASSI { 406}
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(( segid " A" and resid 19 and name H4' ))
4.085 1.021 1.021 peak 406 weight 1.00000E+00 volume 1.00000E+06 ppm1 5.752 ppm2 4.237
ASSI { 407}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H5' ))
4.154 1.038 1.038 peak 407 weight 1.00000E+00 volume 9.04000E+05 ppm1 5.752 ppm2 3.937
ASSI { 408}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 19 and name H5' ))
4.085 1.021 1.021 peak 408 weight 1.00000E+00 volume 1.00000E+06 ppm1 5.554 ppm2 3.935
ASSI { 409}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H5''))
3.717 0.929 0.929 peak 409 weight 1.00000E+00 volume 1.76000E+06 ppm1 5.750 ppm2 4.046
ASSI { 410}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H2''))
3.108 0.777 0.777 peak 410 weight 1.00000E+00 volume 5.15000E+06 ppm1 5.749 ppm2 2.449
ASSI { 411}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H2' ))
2.973 0.743 0.743 peak 411 weight 1.00000E+00 volume 6.72000E+06 ppm1 5.750 ppm2 2.391
ASSI { 412}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H2''))
2.953 0.738 0.738 peak 412 weight 1.00000E+00 volume 7.00000E+06 ppm1 7.760 ppm2 2.454
ASSI { 413}
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3.368 0.842 0.842 peak 413 weight 1.00000E+00 volume 3.18000E+06 ppm1 7.757 ppm2 2.386
ASSI { 414}
(( segid " A" and resid 19 and name H8 ))
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3.639 0.910 0.910 peak 414 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.758 ppm2 4.906
ASSI { 415}
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3.639 0.910 0.910 peak 415 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.745 ppm2 4.886
ASSI { 416}
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4.239 1.060 1.060 peak 416 weight 1.00000E+00 volume 8.00000E+05 ppm1 5.667 ppm2 4.258
ASSI { 417}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H5' ))
4.078 1.019 1.019 peak 417 weight 1.00000E+00 volume 1.01000E+06 ppm1 5.665 ppm2 4.043
ASSI { 418}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H2' ))
3.030 0.758 0.758 peak 418 weight 1.00000E+00 volume 6.00000E+06 ppm1 5.663 ppm2 2.397
ASSI { 419}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 18 and name H2' ))
3.520 0.880 0.880 peak 419 weight 1.00000E+00 volume 2.44000E+06 ppm1 7.747 ppm2 2.402
ASSI { 420}
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3.263 0.816 0.816 peak 420 weight 1.00000E+00 volume 3.85000E+06 ppm1 8.085 ppm2 4.957
ASSI { 421}
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(( segid " A" and resid 17 and name H3' ))
3.935 0.984 0.984 peak 421 weight 1.00000E+00 volume 1.25000E+06 ppm1 5.981 ppm2 4.961
ASSI { 422}
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ASSI { 423}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H5' ))
4.026 1.007 1.007 peak 423 weight 1.00000E+00 volume 1.09000E+06 ppm1 6.543 ppm2 4.366
ASSI { 424}
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ASSI { 425}
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3.683 0.921 0.921 peak 425 weight 1.00000E+00 volume 1.86000E+06 ppm1 8.088 ppm2 4.369
ASSI { 426}
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ASSI { 427}
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4.085 1.021 1.021 peak 427 weight 1.00000E+00 volume 1.00000E+06 ppm1 5.978 ppm2 4.331
ASSI { 428}
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4.239 1.060 1.060 peak 428 weight 1.00000E+00 volume 8.00000E+05 ppm1 5.982 ppm2 4.089
ASSI { 429}
(( segid " A" and resid 17 and name H8 ))
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3.142 0.785 0.785 peak 429 weight 1.00000E+00 volume 4.83000E+06 ppm1 8.091 ppm2 4.077
ASSI { 430}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H2' ))
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ASSI { 431}
(( segid " A" and resid 17 and name H8 ))
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ASSI { 432}
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ASSI { 433}
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ASSI { 434}
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3.700 0.925 0.925 peak 434 weight 1.00000E+00 volume 1.81000E+06 ppm1 5.391 ppm2 4.124
ASSI { 435}
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ASSI { 436}
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ASSI { 437}
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ASSI { 438}
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ASSI { 439}
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(( segid " A" and resid 15 and name H3' ))
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ASSI { 440}
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ASSI { 441}
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ASSI { 442}
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ASSI { 443}
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ASSI { 444}
(( segid " A" and resid 15 and name H1' ))
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3.587 0.897 0.897 peak 444 weight 1.00000E+00 volume 2.18000E+06 ppm1 5.944 ppm2 4.140
ASSI { 445}
(( segid " A" and resid 15 and name H8 ))
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ASSI { 446}
(( segid " A" and resid 15 and name H1' ))
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ASSI { 447}
(( segid " A" and resid 15 and name H1' ))
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ASSI { 448}
(( segid " A" and resid 15 and name H8 ))
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ASSI { 449}
(( segid " A" and resid 15 and name H8 ))
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ASSI { 450}
(( segid " A" and resid 15 and name H1' ))
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ASSI { 451}
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(( segid " A" and resid 14 and name H3' ))
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ASSI { 452}
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ASSI { 453}
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ASSI { 454}
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ASSI { 455}
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ASSI { 456}
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ASSI { 457}
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ASSI { 458}
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ASSI { 459}
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(( segid " A" and resid 12 and name H1' ))
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ASSI { 460}
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ASSI { 461}
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ASSI { 462}
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ASSI { 463}
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ASSI { 464}
(( segid " A" and resid 4 and name H1 ))
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ASSI { 465}
(( segid " A" and resid 4 and name H1 ))
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ASSI { 466}
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ASSI { 467}
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(( segid " A" and resid 9 and name H1 ))
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ASSI { 468}
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ASSI { 469}
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ASSI { 470}
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ASSI { 471}
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ASSI { 472}
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ASSI { 473}
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(( segid " A" and resid 13 and name H5' ))
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ASSI { 474}
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ASSI { 475}
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ASSI { 476}
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ASSI { 477}
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ASSI { 478}
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ASSI { 479}
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ASSI { 480}
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ASSI { 481}
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ASSI { 482}
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ASSI { 483}
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3.587 0.897 0.897 peak 483 weight 1.00000E+00 volume 2.18000E+06 ppm1 7.932 ppm2 4.236
ASSI { 484}
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ASSI { 485}
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ASSI { 486}
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ASSI { 487}
(( segid " A" and resid 30 and name H1' ))
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ASSI { 488}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 489}
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ASSI { 490}
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ASSI { 491}
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ASSI { 492}
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ASSI { 493}
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ASSI { 494}
(( segid " A" and resid 3 and name H8 ))
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ASSI { 495}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H5''))
5.023 1.256 1.256 peak 495 weight 1.00000E+00 volume 2.89000E+05 ppm1 7.602 ppm2 4.371
ASSI { 496}
(( segid " A" and resid 3 and name H8 ))
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ASSI { 497}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H5''))
3.639 0.910 0.910 peak 497 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.169 ppm2 4.437
ASSI { 498}
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ASSI { 499}
(( segid " A" and resid 1 and name H2 ))
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ASSI { 500}
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(( segid " A" and resid 19 and name H5''))
3.381 0.845 0.845 peak 500 weight 1.00000E+00 volume 3.11000E+06 ppm1 7.755 ppm2 4.046
ASSI { 501}
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3.639 0.910 0.910 peak 501 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.115 ppm2 4.281
ASSI { 502}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H5''))
8.000 2.000 0.000 peak 502 weight 1.00000E+00 volume 2.00000E+00 ppm1 6.114 ppm2 4.376
ASSI { 503}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H4' ))
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ASSI { 504}
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(( segid " A" and resid 11 and name H4' ))
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ASSI { 505}
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(( segid " A" and resid 11 and name H5' ))
3.639 0.910 0.910 peak 505 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.201 ppm2 4.345
ASSI { 506}
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ASSI { 507}
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ASSI { 508}
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(( segid " A" and resid 1 and name H2 ))
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ASSI { 509}
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ASSI { 510}
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3.639 0.910 0.910 peak 510 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.130 ppm2 4.341
ASSI { 511}
(( segid " A" and resid 1 and name H1' ))
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ASSI { 512}
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ASSI { 513}
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(( segid " A" and resid 24 and name H3' ))
3.639 0.910 0.910 peak 513 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.232 ppm2 4.969
ASSI { 514}
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ASSI { 515}
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(( segid " A" and resid 16 and name H3' ))
3.639 0.910 0.910 peak 515 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.929 ppm2 2.373
ASSI { 516}
(( segid " A" and resid 18 and name H3' ))
(( segid " A" and resid 18 and name H2' ))
3.639 0.910 0.910 peak 516 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.900 ppm2 2.408
ASSI { 517}
(( segid " A" and resid 27 and name H3' ))
(( segid " A" and resid 27 and name H2''))
3.721 0.930 0.930 peak 517 weight 1.00000E+00 volume 1.75000E+06 ppm1 5.103 ppm2 2.724
ASSI { 518}
(( segid " A" and resid 9 and name H3' ))
(( segid " A" and resid 9 and name H5''))
3.124 0.781 0.781 peak 518 weight 1.00000E+00 volume 5.00000E+06 ppm1 5.093 ppm2 4.235
ASSI { 519}
(( segid " A" and resid 26 and name H3' ))
(( segid " A" and resid 25 and name H5' ))
4.585 1.146 1.146 peak 519 weight 1.00000E+00 volume 5.00000E+05 ppm1 5.183 ppm2 4.237
ASSI { 520}
(( segid " A" and resid 15 and name H4' ))
(( segid " A" and resid 15 and name H5' ))
3.639 0.910 0.910 peak 520 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.390 ppm2 4.149
ASSI { 521}
(( segid " A" and resid 17 and name H4' ))
(( segid " A" and resid 17 and name H5' ))
3.639 0.910 0.910 peak 521 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.325 ppm2 4.083
ASSI { 522}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 30 and name H4' ))
3.639 0.910 0.910 peak 522 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.300 ppm2 4.063
ASSI { 523}
(( segid " A" and resid 30 and name H5''))
(( segid " A" and resid 30 and name H4' ))
3.639 0.910 0.910 peak 523 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.297 ppm2 4.234
ASSI { 524}
(( segid " A" and resid 16 and name H4' ))
(( segid " A" and resid 16 and name H5''))
3.639 0.910 0.910 peak 524 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.242 ppm2 4.130
ASSI { 525}
(( segid " A" and resid 16 and name H4' ))
(( segid " A" and resid 16 and name H5' ))
3.639 0.910 0.910 peak 525 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.243 ppm2 4.041
ASSI { 526}
(( segid " A" and resid 29 and name H5' ))
(( segid " A" and resid 30 and name H5''))
4.585 1.146 1.146 peak 526 weight 1.00000E+00 volume 5.00000E+05 ppm1 4.228 ppm2 4.048
ASSI { 527}
(( segid " A" and resid 32 and name H5' ))
(( segid " A" and resid 31 and name H5' ))
4.085 1.021 1.021 peak 527 weight 1.00000E+00 volume 1.00000E+06 ppm1 4.081 ppm2 3.963
ASSI { 528}
(( segid " A" and resid 21 and name H5' ))
(( segid " A" and resid 17 and name H5' ))
5.976 1.494 1.494 peak 528 weight 1.00000E+00 volume 1.02000E+05 ppm1 4.083 ppm2 3.868
ASSI { 529}
(( segid " A" and resid 21 and name H5''))
(( segid " A" and resid 21 and name H5' ))
3.124 0.781 0.781 peak 529 weight 1.00000E+00 volume 5.00000E+06 ppm1 3.953 ppm2 3.871
ASSI { 530}
(( segid " A" and resid 9 and name H2' ))
(( segid " A" and resid 9 and name H5''))
3.657 0.914 0.914 peak 530 weight 1.00000E+00 volume 1.94000E+06 ppm1 4.230 ppm2 3.091
ASSI { 531}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 9 and name H5''))
5.808 1.452 1.452 peak 531 weight 1.00000E+00 volume 1.21000E+05 ppm1 4.230 ppm2 2.856
ASSI { 532}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 9 and name H5''))
5.696 1.424 1.424 peak 532 weight 1.00000E+00 volume 1.36000E+05 ppm1 4.231 ppm2 2.743
ASSI { 533}
(( segid " A" and resid 5 and name H2' ))
(( segid " A" and resid 6 and name H5''))
5.754 1.438 1.438 peak 533 weight 1.00000E+00 volume 1.28000E+05 ppm1 4.299 ppm2 2.796
ASSI { 534}
(( segid " A" and resid 1 and name H2' ))
(( segid " A" and resid 2 and name H5' ))
5.995 1.499 1.499 peak 534 weight 1.00000E+00 volume 1.00000E+05 ppm1 4.289 ppm2 2.467
ASSI { 535}
(( segid " A" and resid 3 and name H2''))
(( segid " A" and resid 2 and name H5' ))
5.341 1.335 1.335 peak 535 weight 1.00000E+00 volume 2.00000E+05 ppm1 4.290 ppm2 2.541
ASSI { 536}
(( segid " A" and resid 29 and name H2''))
(( segid " A" and resid 29 and name H4' ))
3.124 0.781 0.781 peak 536 weight 1.00000E+00 volume 5.00000E+06 ppm1 4.290 ppm2 2.274
ASSI { 537}
(( segid " A" and resid 29 and name H2' ))
(( segid " A" and resid 29 and name H4' ))
3.124 0.781 0.781 peak 537 weight 1.00000E+00 volume 5.00000E+06 ppm1 4.290 ppm2 2.344
ASSI { 538}
(( segid " A" and resid 25 and name H2' ))
(( segid " A" and resid 25 and name H5' ))
3.226 0.806 0.806 peak 538 weight 1.00000E+00 volume 4.12000E+06 ppm1 4.235 ppm2 2.539
ASSI { 539}
(( segid " A" and resid 25 and name H2''))
(( segid " A" and resid 25 and name H5' ))
3.124 0.781 0.781 peak 539 weight 1.00000E+00 volume 5.00000E+06 ppm1 4.235 ppm2 2.344
ASSI { 540}
(( segid " A" and resid 21 and name H2' ))
(( segid " A" and resid 21 and name H5''))
3.520 0.880 0.880 peak 540 weight 1.00000E+00 volume 2.44000E+06 ppm1 3.956 ppm2 2.519
ASSI { 541}
(( segid " A" and resid 18 and name H5' ))
(( segid " A" and resid 18 and name H2' ))
3.401 0.850 0.850 peak 541 weight 1.00000E+00 volume 3.00000E+06 ppm1 4.042 ppm2 2.399
ASSI { 542}
(( segid " A" and resid 20 and name H2' ))
(( segid " A" and resid 20 and name H5' ))
3.344 0.836 0.836 peak 542 weight 1.00000E+00 volume 3.32000E+06 ppm1 4.073 ppm2 2.412
ASSI { 543}
(( segid " A" and resid 23 and name H2' ))
(( segid " A" and resid 21 and name H5' ))
5.585 1.396 1.396 peak 543 weight 1.00000E+00 volume 1.53000E+05 ppm1 3.869 ppm2 2.425
ASSI { 544}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 21 and name H5' ))
3.516 0.879 0.879 peak 544 weight 1.00000E+00 volume 2.46000E+06 ppm1 3.872 ppm2 2.283
ASSI { 545}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 21 and name H5''))
3.571 0.893 0.893 peak 545 weight 1.00000E+00 volume 2.24000E+06 ppm1 3.952 ppm2 2.287
ASSI { 546}
(( segid " A" and resid 22 and name H2' ))
(( segid " A" and resid 21 and name H5''))
3.801 0.950 0.950 peak 546 weight 1.00000E+00 volume 1.54000E+06 ppm1 3.951 ppm2 2.373
ASSI { 547}
(( segid " A" and resid 22 and name H2' ))
(( segid " A" and resid 21 and name H5' ))
3.411 0.853 0.853 peak 547 weight 1.00000E+00 volume 2.95000E+06 ppm1 3.872 ppm2 2.369
ASSI { 548}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H5' ))
3.449 0.862 0.862 peak 548 weight 1.00000E+00 volume 2.76000E+06 ppm1 3.965 ppm2 1.868
ASSI { 549}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H5' ))
3.809 0.952 0.952 peak 549 weight 1.00000E+00 volume 1.52000E+06 ppm1 3.965 ppm2 2.157
ASSI { 550}
(( segid " A" and resid 30 and name H2' ))
(( segid " A" and resid 30 and name H5' ))
3.401 0.850 0.850 peak 550 weight 1.00000E+00 volume 3.00000E+06 ppm1 4.057 ppm2 2.427
ASSI { 551}
(( segid " A" and resid 30 and name H2''))
(( segid " A" and resid 30 and name H5' ))
3.201 0.800 0.800 peak 551 weight 1.00000E+00 volume 4.32000E+06 ppm1 4.059 ppm2 2.336
ASSI { 552}
( segid " A" and resid 8 and name H5# )
(( segid " A" and resid 8 and name H2''))
4.701 1.175 1.175 peak 552 weight 1.00000E+00 volume 4.30000E+05 ppm1 2.220 ppm2 1.621
ASSI { 553}
(( segid " A" and resid 8 and name H2' ))
(( segid " A" and resid 8 and name H2''))
2.592 0.648 0.648 peak 553 weight 1.00000E+00 volume 1.53000E+07 ppm1 2.329 ppm2 2.230
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